AN-988/40838306
TL;DR: AN-988/40838306 (CAS 496053-94-2) is a chemical compound with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AN-988/40838306, N-[3-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-(3-{5-[(2-{4-nitrophenyl}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)propanamide, N-(3-(4-methyl-5-((2-(4-nitrophenyl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)propionamide, N-[3-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]propanamide
| Molecular Formula | C20H19N5O4S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 3.7138 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.11578 |
| Heavy Atoms | 30 |
| Complexity | 1094.8312 |
Chemical Identifiers
| CAS Number | 496053-94-2 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AN-988/40838306 (CAS 496053-94-2), with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol. IUPAC: N-[3-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AN-988/40838306
Property Insights of AN-988/40838306
The XLogP value of 3.7138 indicates that AN-988/40838306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40838306. Following Lipinski's Rule of Five, AN-988/40838306 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40838306?
The CAS number of AN-988/40838306 is 496053-94-2.
What is the molecular formula of AN-988/40838306?
The molecular formula of AN-988/40838306 is C20H19N5O4S.
What is the molecular weight of AN-988/40838306?
The molecular weight of AN-988/40838306 is 425.12 g/mol.
Where can I buy AN-988/40838306?
You can request a quote for AN-988/40838306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40838306?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40838306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.